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Partition coefficient

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Description of key information

No experimental determination of partition coefficient was possible due to the insolubility of the substance.

Key value for chemical safety assessment

Log Kow (Log Pow):
1
at the temperature of:
20 °C

Additional information

No experimental determination of partition coefficient was possible by Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 or Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. This was since the test item exhibited significant surface active properties during attempted water solubility testing, thus invalidating the use of the shake-flask method. Estimation by the high performance liquid chromatography (HPLC) method was not possible in the absence of suitable calibration standards, as typical dissociation constants of sulfonic acid functional groups prevented establishing the necessary molecular form within the working pH range of the analytical column and again, as the method may not be valid for surface active substances. Similar insolubility prevented experimental determination for the read across sulfited oil (EC 307-037-4). A value has been estimated based on the molecular formula and calculated with EPISUITE 4.1 on the acid form (LogKow 15.02), but the result seems too conservative and unrealistic, since it excludes the water compartment from the risk assessment, while due to the surfactant nature of the substance and experience it seems the preferred compartment. For risk assessment then a realistic representative value of 1 has been then taken from the family of long chain derivatives sulfosuccinates, that ranges between -0.5 to 1